N-(1-adamantylcarbamothioyl)-3-(2-methylpropoxy)benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-(2-methylpropoxy)benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-isobutoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-(2-methylpropoxy)benzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-isobutoxy-benzamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-14(2)13-26-19-5-3-4-18(9-19)20(25)23-21(27)24-22-10-15-6-16(11-22)8-17(7-15)12-22/h3-5,9,14-17H,6-8,10-13H2,1-2H3,(H2,23,24,25,27)